ethyl 2-(5-chloro-6-fluoropyridin-2-yl)acetate

• ChemBase ID: 801694
• Molecular Formular: C9H9ClFNO2
• Molecular Mass: 217.6246632
• Monoisotopic Mass: 217.03058443
• SMILES: O(C(=O)Cc1nc(c(cc1)Cl)F)CC
• Canonical SMILES: CCOC(=O)Cc1ccc(c(n1)F)Cl
• InChI: InChI=1S/C9H9ClFNO2/c1-2-14-8(13)5-6-3-4-7(10)9(11)12-6/h3-4H,2,5H2,1H3
• InChIKey: CEJLIWADMAKMJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(5-chloro-6-fluoropyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(5-chloro-6-fluoropyridin-2-yl)acetate
• Synonyms: ETHYL (5-CHLORO-6-FLUOROPYRIDIN-2-YL)ACETATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4225514
• LogD (pH = 7.4): 2.4225514
• Log P: 2.4225514
• Molar Refractivity: 50.3903 cm^3
• Polarizability: 19.288239 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%